SCHEMBL31140004

SCHEMBL31140004

O=C(Nc1ccnc(Cl)c1)Nc1ccnc(C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 9/20 0.69
▸ SMARCA4 P51532 8/20 0.69
▸ KDR P35968 3/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ S1PR2 O95136 1/20 0.47
▸ KMO O15229 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM6B O15054 1/20 0.46
▸ TET3 O43151 1/20 0.46
▸ KDM4A O75164 1/20 0.46
▸ BBOX1 O75936 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KDM5A P29375 1/20 0.46
▸ KDM5C P41229 1/20 0.46
▸ ASPH Q12797 1/20 0.46
▸ KDM4D Q6B0I6 1/20 0.46
▸ TET2 Q6N021 1/20 0.46
▸ ALKBH5 Q6P6C2 1/20 0.46
▸ KDM7A Q6ZMT4 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25301796 1.00 SMARCA2 (0.69) SMARCA2SMARCA4KDRCNR1S1PR2
SCHEMBL9599834 0.88 SMARCA2 (0.86) SMARCA2SMARCA4CNR1S1PR2ALDH1A1
SCHEMBL25832379 0.88 SMARCA2 (0.66) SMARCA2SMARCA4KDRCNR1S1PR2
SCHEMBL119685 0.84 SMARCA2 (0.79) SMARCA2SMARCA4KDRCNR1MAPT
SCHEMBL31139994 0.84 SMARCA2 (0.65) SMARCA2SMARCA4KDRCNR1S1PR2
SCHEMBL25300737 0.84 SMARCA2 (0.65) SMARCA2SMARCA4KDRCNR1S1PR2
SCHEMBL27968802 0.83 SMARCA2 (0.72) SMARCA2SMARCA4CNR1MAPTMEN1
SCHEMBL22125200 0.82 SMARCA2 (1.00) SMARCA2SMARCA4MAPTSMN1; SMN2MEN1
SCHEMBL22125520 0.82 SMARCA2 (0.76) SMARCA2SMARCA4CNR1S1PR2MAPT
SCHEMBL11047103 0.81 SMARCA2 (0.79) SMARCA2SMARCA4KDRCNR1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118695863-A Targeting SWI/SNF-related matrix-associated actin-dependent chromatin regulatory factor subfamily A member 4 (SMARCA 4) 丹娜-法伯癌症研究院 2024-09-24 — — CN disclosed
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